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Chemical ID: 6200812
Chemical ID:
6200812
Name [?]:
5-[[5-(2-chloro-5-nitro-phenyl)-2-furyl]methylene]imidazolidine-2,4-dione
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])c2ccc(o2)C=C3C(=O)NC(=O)N3)Cl
InChi [?]:
InChI=1/C14H8ClN3O5/c15-10-3-1-7(18(21)22)5-9(10)12-4-2-8(23-12)6-11-13(19)17-14(20)16-11/h1-6H,(H2,16,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,5,15,6,13,4,3,16,10,17,20,23,22,19,7,18,21,8,9,14/E:(21,22)/CRV:18.5/rA:23nCCCCCCN+OO-CCCCOCCCONCONCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s11;d12;s10s13;s13;w15;s16;d17;s17;s19;d20;s16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8ClN3O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.5203 |
Area: | 501.748 |
Solvation: | -9.02339 |
Coulombic: | -59.7482 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 333.683 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.12 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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